Molecule card · MolClass #41339
17515629
17515629: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17515629Mitochondrial Fusion · compound_name
- MolClass ID
- 41339
- InChIKey
- DPLKHMHDDIBEBV-UHFFFAOYSA-N
- Canonical SMILES
- CC1=NN=C(N(N)C1(=O))SCC(=O)NCc2ccccc2Cl
- Standard InChI
- InChI=1S/C13H14ClN5O2S/c1-8-12(21)19(15)13(18-17-8)22-7-11(20)16-6-9-4-2-3-5-10(9)14/h2-5H,6-7,15H2,1H3,(H,16,20)
- Stored Murcko scaffold
- n1nc(ncc1)SC[CH]NCc2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 17515611#39277
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.802 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.614
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 17515629